2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C11H19N5S — CID 11970863

IUPAC2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCCC2)nc(SC)n1
InChIInChI=1S/C11H19N5S/c1-3-12-9-14-10(16-11(15-9)17-2)13-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyQWEXZURQZXDZBL-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.38
Rot. Bonds5

About 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 11970863) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID11970863
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CCCC2)nc(SC)n1
InChIInChI=1S/C11H19N5S/c1-3-12-9-14-10(16-11(15-9)17-2)13-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyQWEXZURQZXDZBL-UHFFFAOYSA-N
XLogP2.38
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ametryn
CID 13263
Terbutryn
CID 13450
Prometryn
CID 4929
Irgarol
CID 91590
Desmetryn
CID 13904
Dimethametryn
CID 31573
Dipropetryn
CID 20105
Deethylametryne
CID 608030
Simetryn-sulfonium
CID 177546092
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-(1-methylethyl)-N'-propyl-
CID 190519
1,3,5-Triazine-2,4-diamine, N-butyl-6-((difluoromethyl)thio)-N'-(1-methylethyl)-
CID 190522
1,3,5-Triazine,2-difluoromethio-4-amylamino-6-et
CID 15595043

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 11970863) is 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CCCC2)nc(SC)n1.
What is the InChIKey of 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QWEXZURQZXDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-3-12-9-14-10(16-11(15-9)17-2)13-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 253.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11970863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).